1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine

C11H24N4O — CID 110927538

IUPAC1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
SMILESCOCCN/C(N)=N/CC1CCN(C)CC1
InChIInChI=1S/C11H24N4O/c1-15-6-3-10(4-7-15)9-14-11(12)13-5-8-16-2/h10H,3-9H2,1-2H3,(H3,12,13,14)
InChIKeySYRTXOOMPSDEEA-UHFFFAOYSA-N
MW228.34 g/mol
LogP-0.12
Rot. Bonds5

About 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine

1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine (PubChem CID 110927538) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
PubChem CID110927538
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
SMILESCOCCN/C(N)=N/CC1CCN(C)CC1
InChIInChI=1S/C11H24N4O/c1-15-6-3-10(4-7-15)9-14-11(12)13-5-8-16-2/h10H,3-9H2,1-2H3,(H3,12,13,14)
InChIKeySYRTXOOMPSDEEA-UHFFFAOYSA-N
XLogP-0.12
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 51131494
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675
1-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111085397
1-(2-methoxyphenyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 75419855
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
2-methyl-N'-[(1-methylpiperidin-4-yl)methyl]propanimidamide
CID 63178163

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine (CID 110927538) is 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine is COCCN/C(N)=N/CC1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
The InChIKey is SYRTXOOMPSDEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-15-6-3-10(4-7-15)9-14-11(12)13-5-8-16-2/h10H,3-9H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine?
1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine is sourced from PubChem (CID 110927538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).